tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate

C11H19N3O2 — CID 45097908

IUPACtert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate
SMILESCn1nccc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)12-7-5-9-6-8-13-14(9)4/h6,8H,5,7H2,1-4H3,(H,12,15)
InChIKeyGJOXGDCVAUGLRF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.49
Rot. Bonds3

About tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate

tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate (PubChem CID 45097908) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate
PubChem CID45097908
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nametert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate
SMILESCn1nccc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)12-7-5-9-6-8-13-14(9)4/h6,8H,5,7H2,1-4H3,(H,12,15)
InChIKeyGJOXGDCVAUGLRF-UHFFFAOYSA-N
XLogP1.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(1H-pyrazol-3-yl)ethyl]carbamate
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Carbamic acid, N-(2-formyl-3-(1-methyl-1H-pyrazol-5-yl)propyl)-, 1,1-dimethylethyl ester
CID 86767724
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t-Butyl trans-2-(1-methyl-1h-pyrazol-5-yl)cyclopropylcarbamate
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tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclopentyl]carbamate
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2,2,6,6-Tetramethyl-N-[2-(2-methylpyrazol-3-YL)ethyl]morpholine-4-carboxamide
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tert-butyl {2-[1-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]ethyl}carbamate
CID 86628156
tert-butyl N-[3-[[5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclobutyl]carbamate
CID 146203737
tert-butyl N-[4-[1-(difluoromethyl)pyrazol-3-yl]cyclohex-3-en-1-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate (CID 45097908) is tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate is Cn1nccc1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate?
The InChIKey is GJOXGDCVAUGLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)16-10(15)12-7-5-9-6-8-13-14(9)4/h6,8H,5,7H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate?
tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate has a molecular weight of 225.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylpyrazol-3-yl)ethyl]carbamate is sourced from PubChem (CID 45097908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).